4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine

C13H21ClFN3 — CID 112563253

IUPAC4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine
SMILESCCc1nn(CC)c(CC2(F)CCNCC2)c1Cl
InChIInChI=1S/C13H21ClFN3/c1-3-10-12(14)11(18(4-2)17-10)9-13(15)5-7-16-8-6-13/h16H,3-9H2,1-2H3
InChIKeyORVUPHQIONLMFL-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.75
Rot. Bonds4

About 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine

4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine (PubChem CID 112563253) has the molecular formula C13H21ClFN3 and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine
PubChem CID112563253
Molecular FormulaC13H21ClFN3
Molecular Weight273.78 g/mol
Exact Mass273.14
IUPAC Name4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine
SMILESCCc1nn(CC)c(CC2(F)CCNCC2)c1Cl
InChIInChI=1S/C13H21ClFN3/c1-3-10-12(14)11(18(4-2)17-10)9-13(15)5-7-16-8-6-13/h16H,3-9H2,1-2H3
InChIKeyORVUPHQIONLMFL-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine (CID 112563253) is 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine is CCc1nn(CC)c(CC2(F)CCNCC2)c1Cl.
What is the InChIKey of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
The InChIKey is ORVUPHQIONLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClFN3/c1-3-10-12(14)11(18(4-2)17-10)9-13(15)5-7-16-8-6-13/h16H,3-9H2,1-2H3.
What are the key properties of 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine?
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine has a molecular weight of 273.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 112563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).